N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide

C13H15NO2 — CID 82113869

IUPACN-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H15NO2/c1-9(15)14-8-13(16)12-6-5-10-3-2-4-11(10)7-12/h5-7H,2-4,8H2,1H3,(H,14,15)
InChIKeyLOMCFYRFCAALFU-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.49
Rot. Bonds3

About N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide

N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide (PubChem CID 82113869) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide
PubChem CID82113869
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H15NO2/c1-9(15)14-8-13(16)12-6-5-10-3-2-4-11(10)7-12/h5-7H,2-4,8H2,1H3,(H,14,15)
InChIKeyLOMCFYRFCAALFU-UHFFFAOYSA-N
XLogP1.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114618954
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674
1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone
CID 82102300
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
2-(2-hydroxyethylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101380
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101392
2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680971
2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101388
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 30602319
2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 116830081
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide (CID 82113869) is N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide is CC(=O)NCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide?
The InChIKey is LOMCFYRFCAALFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(15)14-8-13(16)12-6-5-10-3-2-4-11(10)7-12/h5-7H,2-4,8H2,1H3,(H,14,15).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide?
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide has a molecular weight of 217.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 82113869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).